Impurity effects on the melting of Ni clusters

We demonstrate that the addition of a single carbon impurity leads to significant changes in the thermodynamic properties of Ni clusters consisting of more than a hundred atoms. The magnitude of the change induced is dependent upon the parameters of the Ni-C interaction. Hence, thermodynamic properties of Ni clusters can be effectively tuned by the addition of an impurity of a particular type. We also show that the presence of a carbon impurity considerably changes the mobility and diffusion of atoms in the Ni cluster at temperatures close to its melting point. The calculated diffusion coefficients of the carbon impurity in the Ni cluster can be used for a reliable estimate of the growth rate of carbon nanotubes.Comment: 27 pages, 13 figure

Rigorous treatment of electrostatics for spatially varying dielectrics based on energy minimization

A novel energy minimization formulation of electrostatics that allows computation of the electrostatic energy and forces to any desired accuracy in a system with arbitrary dielectric properties is presented. An integral equation for the scalar charge density is derived from an energy functional of the polarization vector field. This energy functional represents the true energy of the system even in non-equilibrium states. Arbitrary accuracy is achieved by solving the integral equation for the charge density via a series expansion in terms of the equation's kernel, which depends only on the geometry of the dielectrics. The streamlined formalism operates with volume charge distributions only, not resorting to introducing surface charges by hand. Therefore, it can be applied to any spatial variation of the dielectric susceptibility, which is of particular importance in applications to biomolecular systems. The simplicity of application of the formalism to real problems is shown with analytical and numerical examples.Comment: 27 pages, 5 figure

The Waveform Digitiser of the Double Chooz Experiment: Performance and Quantisation Effects on PhotoMultiplier Tube Signals

We present the waveform digitiser used in the Double Chooz experiment. We describe the hardware and the custom-built firmware specifically developed for the experiment. The performance of the device is tested with regards to digitising low light level signals from photomultiplier tubes and measuring pulse charge. This highlights the role of quantisation effects and leads to some general recommendations on the design and use of waveform digitisers.Comment: 14 pages, 8 figures, accepted for publication in JINS

Molecular dynamics study of accelerated ion-induced shock waves in biological media

We present a molecular dynamics study of the effects of carbon- and iron-ion induced shock waves in DNA duplexes in liquid water. We use the CHARMM force field implemented within the MBN Explorer simulation package to optimize and equilibrate DNA duplexes in liquid water boxes of different sizes and shapes. The translational and vibrational degrees of freedom of water molecules are excited according to the energy deposited by the ions and the subsequent shock waves in liquid water are simulated. The pressure waves generated are studied and compared with an analytical hydrodynamics model which serves as a benchmark for evaluating the suitability of the simulation boxes. The energy deposition in the DNA backbone bonds is also monitored as an estimation of biological damage, something which is not possible with the analytical model

Rearrangement of cluster structure during fission processes

Results of molecular dynamics simulations of fission reactions $Na_{10}^{2+} \to Na_7^+ + Na_3^+$ and $Na_{18}^{2+} \to 2 Na_9^+$ are presented. Dependence of the fission barriers on isomer structure of the parent cluster is analyzed. It is demonstrated that the energy necessary for removing homothetic groups of atoms from the parent cluster is largely independent of the isomer form of the parent cluster. Importance of rearrangement of the cluster structure during the fission process is elucidated. This rearrangement may include transition to another isomer state of the parent cluster before actual separation of the daughter fragments begins and/or forming a "neck" between the separating fragments

Limits on Neutrino Oscillations from the CHOOZ Experiment

We present new results based on the entire CHOOZ data sample. We find (at 90% confidence level) no evidence for neutrino oscillations in the anti_nue disappearance mode, for the parameter region given by approximately Delta m**2 > 7 x 10**-4 eV^2 for maximum mixing, and sin**2(2 theta) = 0.10 for large Delta m**2. Lower sensitivity results, based only on the comparison of the positron spectra from the two different-distance nuclear reactors, are also presented; these are independent of the absolute normalization of the anti_nue flux, the cross section, the number of target protons and the detector efficiencies.Comment: 19 pages, 11 figures, Latex fil

Search for neutrino oscillations on a long base-line at the CHOOZ nuclear power station

This final article about the CHOOZ experiment presents a complete description of the electron antineutrino source and detector, the calibration methods and stability checks, the event reconstruction procedures and the Monte Carlo simulation. The data analysis, systematic effects and the methods used to reach our conclusions are fully discussed. Some new remarks are presented on the deduction of the confidence limits and on the correct treatment of systematic errors.Comment: 41 pages, 59 figures, Latex file, accepted for publication by Eur.Phys.J.

Initial Results from the CHOOZ Long Baseline Reactor Neutrino Oscillation Experiment

Initial results are presented from CHOOZ, a long-baseline reactor-neutrino vacuum-oscillation experiment. Electron antineutrinos were detected by a liquid scintillation calorimeter located at a distance of about 1 km. The detector was constructed in a tunnel protected from cosmic rays by a 300 MWE rock overburden. This massive shielding strongly reduced potentially troublesome backgrounds due to cosmic-ray muons, leading to a background rate of about one event per day, more than an order of magnitude smaller than the observed neutrino signal. From the statistical agreement between detected and expected neutrino event rates, we find (at 90% confidence level) no evidence for neutrino oscillations in the electron antineutrino disappearance mode for the parameter region given approximately by deltam**2 > 0.9 10**(-3) eV**2 for maximum mixing and (sin(2 theta)**2) > 0.18 for large deltam**2.Comment: 13 pages, Latex, submitted to Physics Letters

Muon and Cosmogenic Neutron Detection in Borexino

Borexino, a liquid scintillator detector at LNGS, is designed for the detection of neutrinos and antineutrinos from the Sun, supernovae, nuclear reactors, and the Earth. The feeble nature of these signals requires a strong suppression of backgrounds below a few MeV. Very low intrinsic radiogenic contamination of all detector components needs to be accompanied by the efficient identification of muons and of muon-induced backgrounds. Muons produce unstable nuclei by spallation processes along their trajectory through the detector whose decays can mimic the expected signals; for isotopes with half-lives longer than a few seconds, the dead time induced by a muon-related veto becomes unacceptably long, unless its application can be restricted to a sub-volume along the muon track. Consequently, not only the identification of muons with very high efficiency but also a precise reconstruction of their tracks is of primary importance for the physics program of the experiment. The Borexino inner detector is surrounded by an outer water-Cherenkov detector that plays a fundamental role in accomplishing this task. The detector design principles and their implementation are described. The strategies adopted to identify muons are reviewed and their efficiency is evaluated. The overall muon veto efficiency is found to be 99.992% or better. Ad-hoc track reconstruction algorithms developed are presented. Their performance is tested against muon events of known direction such as those from the CNGS neutrino beam, test tracks available from a dedicated External Muon Tracker and cosmic muons whose angular distribution reflects the local overburden profile. The achieved angular resolution is 3-5 deg and the lateral resolution is 35-50 cm, depending on the impact parameter of the crossing muon. The methods implemented to efficiently tag cosmogenic neutrons are also presented.Comment: 42 pages. 32 figures on 37 files. Uses JINST.cls. 1 auxiliary file (defines.tex) with TEX macros. submitted to Journal of Instrumentatio

Measurement of geo-neutrinos from 1353 days of Borexino

We present a measurement of the geo--neutrino signal obtained from 1353 days of data with the Borexino detector at Laboratori Nazionali del Gran Sasso in Italy. With a fiducial exposure of (3.69 $\pm$ 0.16) $\times$ $10^{31}$ proton $\times$ year after all selection cuts and background subtraction, we detected (14.3 $\pm$ 4.4) geo-neutrino events assuming a fixed chondritic mass Th/U ratio of 3.9. This corresponds to a geo-neutrino signal $S_{geo}$ = (38.8 $\pm$ 12.0) TNU with just a 6 $\times$ $10^{-6}$ probability for a null geo-neutrino measurement. With U and Th left as free parameters in the fit, the relative signals are $S_{\mathrm{Th}}$ = (10.6 $\pm$ 12.7) TNU and $S_\mathrm{U}$ = (26.5 $\pm$ 19.5) TNU. Borexino data alone are compatible with a mantle geo--neutrino signal of (15.4 $\pm$ 12.3) TNU, while a combined analysis with the KamLAND data allows to extract a mantle signal of (14.1 $\pm$ 8.1) TNU. Our measurement of a reactor anti--neutrino signal $S_{react}$ = 84.5$^{+19.3}_{-18.9}$ TNU is in agreement with expectations in the presence of neutrino oscillations.Comment: 9 pages, 6 figure